2023
DOI: 10.1016/j.jcis.2023.02.001
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Reaching the initial coulombic efficiency and structural stability limit of P2/O3 biphasic layered cathode for sodium-ion batteries

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Cited by 19 publications
(3 citation statements)
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“…It was found that the electrons in Mn 4+ -3d orbitals (t 2g and e g ) in NNCC-0.1 were more than that of NNCC-0, which demonstrated that the active Jahn–Teller Mn 3+ in NMNNC-0.1 was partially converted to inactive Mn 4+ after Cu-substitution, and the Jahn–Teller effect was suppressed effectively. 47 In conclusion, the DFT calculation explained why Cu-substitution could promote the cycle stability of the material. Simultaneously, Zhang and coworkers also used DFT to analyze the PDOS of Mn 3+ , Zn 2+ and Mn 4+ centers for Na [Li 0.25 Mn 0.75 ]O 2 before and after Zn-substitution.…”
Section: Overview Of Layered Oxide Cathodesmentioning
confidence: 85%
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“…It was found that the electrons in Mn 4+ -3d orbitals (t 2g and e g ) in NNCC-0.1 were more than that of NNCC-0, which demonstrated that the active Jahn–Teller Mn 3+ in NMNNC-0.1 was partially converted to inactive Mn 4+ after Cu-substitution, and the Jahn–Teller effect was suppressed effectively. 47 In conclusion, the DFT calculation explained why Cu-substitution could promote the cycle stability of the material. Simultaneously, Zhang and coworkers also used DFT to analyze the PDOS of Mn 3+ , Zn 2+ and Mn 4+ centers for Na [Li 0.25 Mn 0.75 ]O 2 before and after Zn-substitution.…”
Section: Overview Of Layered Oxide Cathodesmentioning
confidence: 85%
“…Hence, more electrons in Mn 3+ -3d orbitals (t 2g and e g ) indicate an intensified Jahn-Teller effect. 47 Additionally, the high-spin Mn 3+ ion has two different electron configurations: (t 2g ) 3 (d z 2) 1 and (t 2g ) 3 d (x 2 À y 2 ) 1. The former configuration induces two long Mn-O bond lengths in the z-axis direction and four short Mn-O bond lengths in the xy-plane, which is a stretched Jahn-Teller distortion.…”
Section: Challengesmentioning
confidence: 99%
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